N-(4-acetamido-3-chloranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(4-acetamido-3-chloranyl-phenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(4-acetamido-3-chloro-phenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(4-acetamido-3-chlorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(4-acetamido-3-chlorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(4-acetamido-3-chloro-phenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)Cl

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)NC(=S)N3)Cl

InChI

InChI=1S/C17H13ClN4O3S/c1-8(23)19-13-5-3-10(7-12(13)18)20-15(24)9-2-4-11-14(6-9)21-17(26)22-16(11)25/h2-7H,1H3,(H,19,23)(H,20,24)(H2,21,22,25,26)